N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C10H17N3O2 — CID 63014214

IUPACN-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(C2CCCOC2)o1
InChIInChI=1S/C10H17N3O2/c1-7(11-2)9-12-13-10(15-9)8-4-3-5-14-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyWBTYBKFGSGAGNI-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds3

About N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 63014214) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID63014214
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNC(C)c1nnc(C2CCCOC2)o1
InChIInChI=1S/C10H17N3O2/c1-7(11-2)9-12-13-10(15-9)8-4-3-5-14-6-8/h7-8,11H,3-6H2,1-2H3
InChIKeyWBTYBKFGSGAGNI-UHFFFAOYSA-N
XLogP1.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 63012070
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859100
N-[2-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55151254
N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 79763371
N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 104622614
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
CID 131201326
N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
CID 115082682
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154807280
5-[1-(methylamino)ethyl]-N-[1-(oxan-4-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 114115371
1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63015287

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 63014214) is N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CNC(C)c1nnc(C2CCCOC2)o1.
What is the InChIKey of N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is WBTYBKFGSGAGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11-2)9-12-13-10(15-9)8-4-3-5-14-6-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 63014214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).